离子液体
分子动力学
电极
电容
反离子
离子
化学物理
亥姆霍兹自由能
离子键合
扩散
微分电容
工作(物理)
材料科学
化学
溶剂
分析化学(期刊)
物理化学
计算化学
热力学
物理
有机化学
催化作用
作者
Chenxuan Xu,Wenjin Zheng,Binbin Wen,Xiaolin Chen,Jing Hua,Xinhao Wang,Qian Xu,Linjun Si,Gang Chen,Huachao Yang
出处
期刊:Journal of physics
[IOP Publishing]
日期:2023-08-01
卷期号:2563 (1): 012008-012008
标识
DOI:10.1088/1742-6596/2563/1/012008
摘要
Abstract Two-dimensional MXene nanomaterials are attracting more and more research interests as electrodes in energy storage applications. In this work, the interfacial structural and dynamical properties of solvent-free ionic liquids ([BMI + ] [PF 6 - ]) on the MXene electrode are investigated using molecular dynamics simulation. Multiple alternating structures of [BMI + ] cation and [PF 6 - ] anions on the MXene surface are observed. Interestingly, the ion diffusion coefficients are remarkably reduced (by 30~40%) in the interfacial Helmholtz layer. Importantly, an asymmetric bell-shaped differential capacitance profile with a maximum capacitance of ~7.04 μF/cm 2 is observed. This is chiefly correlated with the structural properties of counterions rather than coins in the interfacial areas.
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